1-(furan-2-ylmethyl)-3-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea

C17H22N2O3S — CID 91812766

IUPAC1-(furan-2-ylmethyl)-3-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea
SMILESO=C(NC1CCOCC1)N(CCc1cccs1)Cc1ccco1
InChIInChI=1S/C17H22N2O3S/c20-17(18-14-6-10-21-11-7-14)19(13-15-3-1-9-22-15)8-5-16-4-2-12-23-16/h1-4,9,12,14H,5-8,10-11,13H2,(H,18,20)
InChIKeyPQCSRSDPFNQTRF-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.27
Rot. Bonds6

About 1-(furan-2-ylmethyl)-3-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea

1-(furan-2-ylmethyl)-3-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea (PubChem CID 91812766) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea
PubChem CID91812766
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name1-(furan-2-ylmethyl)-3-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea
SMILESO=C(NC1CCOCC1)N(CCc1cccs1)Cc1ccco1
InChIInChI=1S/C17H22N2O3S/c20-17(18-14-6-10-21-11-7-14)19(13-15-3-1-9-22-15)8-5-16-4-2-12-23-16/h1-4,9,12,14H,5-8,10-11,13H2,(H,18,20)
InChIKeyPQCSRSDPFNQTRF-UHFFFAOYSA-N
XLogP3.27
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90495795
3-(2,6-difluorophenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90495809
3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 71781376
1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 90495819
3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
CID 115617674
1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 71781383
3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90495815
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 90495634
1-ethyl-3-(oxolan-3-yl)-1-(thiophen-2-ylmethyl)urea
CID 113322013
N-(oxan-4-yl)-4-thiophen-2-ylbutanamide
CID 70313728
N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide
CID 90495714
N-(cyclopropylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8678412

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea (CID 91812766) is 1-(furan-2-ylmethyl)-3-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea is O=C(NC1CCOCC1)N(CCc1cccs1)Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea?
The InChIKey is PQCSRSDPFNQTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c20-17(18-14-6-10-21-11-7-14)19(13-15-3-1-9-22-15)8-5-16-4-2-12-23-16/h1-4,9,12,14H,5-8,10-11,13H2,(H,18,20).
What are the key properties of 1-(furan-2-ylmethyl)-3-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea?
1-(furan-2-ylmethyl)-3-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea has a molecular weight of 334.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 91812766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).